(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C23H20ClNO6 MolecularWeight: 441.861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20ClNO6/c1-13(25-23(28)29-12-14-6-3-2-4-7-14)21(26)31-20-11-19-17(10-18(20)24)15-8-5-9-16(15)22(27)30-19/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3,(H,25,28)